NAMD
|
This is the complete list of members for CudaComputeNonbondedKernel, including all inherited members.
bindExclusions(int numExclusions, unsigned int *exclusion_bits) | CudaComputeNonbondedKernel | |
computeAtomPad(const int numAtoms, const int tilesize=WARPSIZE) | CudaComputeNonbondedKernel | inlinestatic |
computeNumTiles(const int numAtoms, const int tilesize=WARPSIZE) | CudaComputeNonbondedKernel | inlinestatic |
CudaComputeNonbondedKernel(int deviceID, CudaNonbondedTables &cudaNonbondedTables, bool doStreaming) | CudaComputeNonbondedKernel | |
getPatchReadyQueue() | CudaComputeNonbondedKernel | |
getVirialEnergy(VirialEnergy *h_virialEnergy, cudaStream_t stream) | CudaComputeNonbondedKernel | |
nonbondedForce(CudaTileListKernel &tlKernel, const int atomStorageSize, const bool atomsChanged, const bool doMinimize, const bool doPairlist, const bool doEnergy, const bool doVirial, const bool doSlow, const bool doAlch, const bool doAlchVdwForceSwitching, const bool doFEP, const bool doTI, const bool doTable, const float3 lata, const float3 latb, const float3 latc, const float4 *h_xyzq, const float cutoff2, const CudaNBConstants nbConstants, float4 *d_forces, float4 *d_forcesSlow, float4 *h_forces, float4 *h_forcesSlow, AlchData *fepFlags, bool lambdaWindowUpdated, char *part, bool CUDASOAintegratorOn, bool useDeviceMigration, cudaStream_t stream) | CudaComputeNonbondedKernel | |
reallocate_forceSOA(int atomStorageSize) | CudaComputeNonbondedKernel | |
reduceVirialEnergy(CudaTileListKernel &tlKernel, const int atomStorageSize, const bool doEnergy, const bool doVirial, const bool doSlow, const bool doGBIS, float4 *d_forces, float4 *d_forcesSlow, VirialEnergy *d_virialEnergy, cudaStream_t stream) | CudaComputeNonbondedKernel | |
setExclusionsByAtom(int2 *h_data, const int num_atoms) | CudaComputeNonbondedKernel | |
updateVdwTypesExcl(const int atomStorageSize, const int *h_vdwTypes, const int2 *h_exclIndexMaxDiff, const int *h_atomIndex, cudaStream_t stream) | CudaComputeNonbondedKernel | |
updateVdwTypesExclOnGPU(CudaTileListKernel &tlKernel, const int numPatches, const int atomStorageSize, const bool alchOn, CudaLocalRecord *localRecords, const int *d_vdwTypes, const int *d_id, const int *d_sortOrder, const int *d_partition, cudaStream_t stream) | CudaComputeNonbondedKernel | |
~CudaComputeNonbondedKernel() | CudaComputeNonbondedKernel |